S-[2-methyl-3-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenyl-propanoyl]piperazin-2-yl]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenyl-propanoyl]piperazin-2-yl]propyl] ethanethioate Openeye Name: S-[2-methyl-3-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenyl-propanoyl]piperazin-2-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-[4-methyl-1-[1-oxo-3-[[oxo-(phenethylamino)methyl]amino]-3-phenylpropyl]-2-piperazinyl]propyl] ester IUPAC Name: S-[2-methyl-3-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenylpropanoyl]piperazin-2-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-methyl-3-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenyl-propanoyl]piperazin-2-yl]propyl] ester Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CN(CCN1C(=O)CC(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C)CSC(=O)C

Isomeric SMILES

CC(CC1CN(CCN1C(=O)CC(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C)CSC(=O)C

InChI

InChI=1S/C29H40N4O3S/c1-22(21-37-23(2)34)18-26-20-32(3)16-17-33(26)28(35)19-27(25-12-8-5-9-13-25)31-29(36)30-15-14-24-10-6-4-7-11-24/h4-13,22,26-27H,14-21H2,1-3H3,(H2,30,31,36)